D089-0524 Screening compound: 2-phenoxyethyl 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate

D089-0524 Screening compound: 2-phenoxyethyl 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
D089-0524 Screening compound: 2-phenoxyethyl 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0524
2-phenoxyethyl 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D089-0524

Molecular Formula

C30H32N2O5 (C30 H32 N2 O5)

Compound Name

2-phenoxyethyl 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

2-phenoxyethyl 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OCCOc2ccccc2)=O)c2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc2o1

InChI

InChI=1S/C30H32N2O5/c1-22-28(30(34)36-19-18-35-24-10-6-3-7-11-24)29-25(26(33)12-13-27(29)37-22)21-32-16-14-31(15-17-32)20-23-8-4-2-5-9-23/h2-13,33H,14-21H2,1H3

InChI Key

YPLHEBRUWSAWOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.57

Polar Surface Area

60.201

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D089-0524 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D089-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0524?
Check Price and Availability of D089-0524, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D089-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0524
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D089-0524 available by request